4-(azepan-1-ylsulfonyl)-N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C23H26FN3O4S2 MolecularWeight: 491.598643

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F

Isomeric SMILES

COCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F

InChI

InChI=1S/C23H26FN3O4S2/c1-31-16-15-27-21-19(24)7-6-8-20(21)32-23(27)25-22(28)17-9-11-18(12-10-17)33(29,30)26-13-4-2-3-5-14-26/h6-12H,2-5,13-16H2,1H3